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2-(2-Chlorophenoxy)ethanol, pentafluoropropionate

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(2-Chlorophenoxy)ethanol, pentafluoropropionate
SpectraBase Compound ID Ivv6W16y4yi
InChI InChI=1S/C11H8ClF5O3/c12-7-3-1-2-4-8(7)19-5-6-20-9(18)10(13,14)11(15,16)17/h1-4H,5-6H2
InChIKey UOIPBNZRKDEKQZ-UHFFFAOYSA-N
Mol Weight 318.63 g/mol
Molecular Formula C11H8ClF5O3
Exact Mass 318.008213 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8z8zqUZYcgD
Name 2-(2-Chlorophenoxy)ethanol, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.008212630 u
Formula C11H8ClF5O3
InChI InChI=1S/C11H8ClF5O3/c12-7-3-1-2-4-8(7)19-5-6-20-9(18)10(13,14)11(15,16)17/h1-4H,5-6H2
InChIKey UOIPBNZRKDEKQZ-UHFFFAOYSA-N
Molecular Weight 318.627 g/mol
SMILES C1(=CC=CC=C1OCCOC(C(C(F)(F)F)(F)F)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917924